N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
Formula:C16H12N3O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide |
| MolecularFormula | C16H12N3O6Cl |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c(cc1OCOc1c1)c1Cl)=O)=O |
| InChI | InChI=1S/C16H12ClN3O6/c17-11-6-15-14(25-9-26-15)5-10(11)7-18-19-16(21)8-24-13-4-2-1-3-12(13)20(22)23/h1-7H,8-9H2,(H,19,21) |
| InChIK | CWZZTTFQLZCZAD-UHFFFAOYSA-N |
| TotalMolweight | 377.739 |
| Molweight | 377.739 |
| MonoisotopicMass | 377.041464 |
| CLogP | 2.5723 |
| CLogS | -5.408 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 270.1 |
| Relative PSA | 0.35702 |
| PolarSurfaceArea | 114.97 |
| Druglikeness | -0.93177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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